SCHEMBL1141920

SCHEMBL1141920

CCCOc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
KDM4E B2RXH2 4/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4835421 0.94 MAPT (0.70) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL10870559 0.92 MAPT (0.71) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL10176166 0.91 MAPT (0.71) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL11643791 0.90 MAPT (0.78) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL1608924 0.89 MAPT (0.69) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL1608515 0.89 MAPT (0.69) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL16153093 0.89 MAPT (0.69) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL4228943 0.87 MAPT (0.66) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL5004832 0.87 ALDH1A1 (0.69) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL16025774 0.86 MAPT (0.64) MAPTKDM4EMEN1KMT2AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US disclosed
US-9061994-B1 Materials and methods useful to induce vacuolization, cell death, or a combination thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-23 US disclosed
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-04 US disclosed
EP-2468729-B1 Novel indazole derivative UBE INDUSTRIES (JP) 2013-12-25 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8232308-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2012-07-31 US disclosed
EP-2468729-A1 Novel indazole derivative UBE INDUSTRIES, LTD. (JP) 2012-06-27 EP disclosed
US-7855222-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2010-12-21 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20090264468-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2009-10-22 US disclosed
US-7563906-B2 Indazole derivatives UBE INDUSTRIES, LTD. (JP) 2009-07-21 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
US-20070129404-A1 Novel indazole derivatives UBE INDUSTRIES, LTD. (JP) 2007-06-07 US disclosed
EP-1679308-A1 NOVEL INDAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2006-07-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof BECN1, BAD, BAX MAPT 2529/4885KDM4E 3784/4885MEN1 1465/4885
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 MAPT 345/4885KDM4E 2654/4885MEN1 4502/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MAPT 4315/4885KDM4E 1219/4885MEN1 1020/4885
US-20090264468-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, RHOT2 MAPT 2675/4885KDM4E 2890/4885MEN1 2156/4885
US-20070129404-A1 Novel indazole derivatives CIT, ROCK1, ROCK2 MAPT 3657/4885KDM4E 1115/4885MEN1 4729/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MAPT 4866/4885KDM4E 2010/4885MEN1 1851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAPT 4163/4885KDM4E 988/4885MEN1 3512/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.